SCHEMBL776414

SCHEMBL776414

Cc1ccccc1C(=O)P(=O)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TP53 P04637 1/20 0.42
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4610702 0.98 NPC1 (0.50) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL4612329 0.95 NPC1 (0.47) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL10277587 0.81 NPC1 (0.45) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL4611295 0.80 LMNA (0.45) KMT2AMEN1NPSR1LMNA
SCHEMBL779150 0.79 NPC1 (0.49) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL4611369 0.78 POLB (0.44) NPC1RAB9AKMT2AMEN1NPSR1
SCHEMBL4612397 0.78 MMP3 (0.44) LMNA
SCHEMBL777962 0.77 NPC1 (0.47) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL777088 0.77 NPC1 (0.47) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL4612175 0.76 ELANE (0.42) NPC1RAB9AKMT2AMEN1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 US disclosed
US-6576725-B1 Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization BRIDGESTONE CORPORATION (JP) 2003-06-10 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed